Information card for entry 7051021

Structure parameters

• Common name: (nBu4N)2[Re6Se6Cl8]
• Chemical name: bis-tetra-n-butylammonium hexa-μ~eq~3-seleno-di-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)
• Formula: C32 H72 Cl8 N2 Re6 Se6
• Calculated formula: C32 H72 Cl8.14 N2 Re6 Se5.848
• Title of publication: Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]
• Authors of publication: Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 737 - 740
• a: 12.833 ± 0.003 Å
• b: 11.588 ± 0.002 Å
• c: 18.563 ± 0.004 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 2760.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No